(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one

C10H15NO — CID 131042687

IUPAC(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one
SMILESCN1CC(=O)C=C2CCCC[C@H]21
InChIInChI=1S/C10H15NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h6,10H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyZAHMZSYIKZYZPR-SNVBAGLBSA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds

About (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one

(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one (PubChem CID 131042687) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one.

Molecular Properties

Compound Name(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one
PubChem CID131042687
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one
SMILESCN1CC(=O)C=C2CCCC[C@H]21
InChIInChI=1S/C10H15NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h6,10H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyZAHMZSYIKZYZPR-SNVBAGLBSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one?
The IUPAC name of (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one (CID 131042687) is (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one.
What is the SMILES notation for (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one?
The canonical SMILES for (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one is CN1CC(=O)C=C2CCCC[C@H]21.
What is the InChIKey of (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one?
The InChIKey is ZAHMZSYIKZYZPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h6,10H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one?
(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one is sourced from PubChem (CID 131042687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).